| Formula | CNPbCl3H6 |
| Reduced formula | CNPbCl3H6 |
| Stoichiometry | ABCD3E6 |
| Number of species | 5 |
| Number of atoms | 12 |
| Unique ID | 24 |
| Unit cell volume [Å3] | 185.121 |
| Direct GLLB-SC+SOC bandgap [eV] | 2.712 |
| Indirect GLLB-SC+SOC bandgap [eV] | 2.712 |
| GLLB-SC Derivative discontinuity [eV] | 1.025 |
| Name given to the crystal structure | MAPbCl3 |
| Symmetry of the crystal | cubic |
| Space group of the crystal | Pm-3m |
| Energy [eV] | -55.917 |